2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide

C15H23N3O3 — CID 107232747

IUPAC2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C15H23N3O3/c1-10(2)7-13(18-15(16)21)14(20)17-8-11-3-5-12(9-19)6-4-11/h3-6,10,13,19H,7-9H2,1-2H3,(H,17,20)(H3,16,18,21)
InChIKeyWLVPGURPJRHGBB-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.88
Rot. Bonds7

About 2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide

2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide (PubChem CID 107232747) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide
PubChem CID107232747
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C15H23N3O3/c1-10(2)7-13(18-15(16)21)14(20)17-8-11-3-5-12(9-19)6-4-11/h3-6,10,13,19H,7-9H2,1-2H3,(H,17,20)(H3,16,18,21)
InChIKeyWLVPGURPJRHGBB-UHFFFAOYSA-N
XLogP0.88
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
CID 107231247
2-(carbamoylamino)-N-ethyl-4-methylpentanamide
CID 60636503
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate
CID 2409785
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylpentanoate
CID 2409784
2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide
CID 60629921
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide
CID 114152761
2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
CID 18164481
4-chloro-N-[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl]benzamide
CID 51064823
4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 55575717
2-(carbamoylamino)-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 3934919
2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 18164478
2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107847321

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide (CID 107232747) is 2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide is CC(C)CC(NC(N)=O)C(=O)NCc1ccc(CO)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide?
The InChIKey is WLVPGURPJRHGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)7-13(18-15(16)21)14(20)17-8-11-3-5-12(9-19)6-4-11/h3-6,10,13,19H,7-9H2,1-2H3,(H,17,20)(H3,16,18,21).
What are the key properties of 2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide?
2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide has a molecular weight of 293.37 g/mol, XLogP of 0.88, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide is sourced from PubChem (CID 107232747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).